SCHEMBL4001464

SCHEMBL4001464

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.76
▸ CTSL P07711 1/20 0.67
▸ MMP2 P08253 1/20 0.63
▸ MMP3 P08254 1/20 0.63
▸ MAPT P10636 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ LNPEP Q9UIQ6 1/20 0.62
▸ ITGB2 P05107 1/20 0.61
▸ ICAM1 P05362 1/20 0.61
▸ ITGAL P20701 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29715351 0.91 TACR1 (0.65) TACR1MMP2MMP3MAPTLMNA
SCHEMBL23099694 0.91 TACR1 (0.65) TACR1MMP2MMP3MAPTLMNA
SCHEMBL9011084 0.89 TACR1 (0.62) TACR1CTSLMMP2MMP3MAPT
SCHEMBL9266687 0.88 TACR1 (0.86) TACR1LNPEP
SCHEMBL3185689 0.87 TACR1 (0.74) TACR1MMP2MMP3MAPTLMNA
SCHEMBL850315 0.87 TACR1 (0.74) TACR1MMP2MMP3MAPTLMNA
Iodide SCHEMBL9011272 0.87 TACR1 (0.60) TACR1CTSLMMP2MMP3MAPT
SCHEMBL9261932 0.87 TACR1 (1.00) TACR1LNPEP
SCHEMBL10802201 0.86 TACR1 (0.71) TACR1CTSLLNPEPITGB2ICAM1
SCHEMBL5259129 0.86 ITGB2 (0.78) TACR1CTSLITGB2ICAM1ITGAL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 — — US claimed
EP-1210340-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 — — EP claimed
JP-2002512960-A — — 2002-05-08 — — JP claimed
WO-2001014355-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 — — WO claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 — — EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 — — WO claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 — — EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 — — US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 — — EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 — — US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 — — EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 — — WO disclosed
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