Sugi Predict

Sugi Predict / Compounds / SCHEMBL7346404

SCHEMBL7346404

SCHEMBL7346404

CC(C)(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 9/20 0.50
▸ YAP1 P46937 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ CACNA1B Q00975 3/20 0.47
▸ CTSS P25774 3/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7343687 0.91 TACR2 (0.53) TACR2ITGB3ITGA2BCACNA1BNPC1
SCHEMBL7340969 0.90 CACNA1B (0.57) TACR2CACNA1BCTSS
SCHEMBL7337619 0.90 CACNA1B (0.57) TACR2CACNA1BCTSS
SCHEMBL7344217 0.89 TACR2 (0.52) TACR2ITGB3ITGA2BCACNA1BNPC1
SCHEMBL7344798 0.89 TACR2 (0.53) TACR2ITGB3ITGA2BCTSSNPC1
SCHEMBL7340850 0.87 TACR2 (0.49) TACR2YAP1ITGB3ITGA2BCACNA1B
SCHEMBL7349125 0.86 TACR2 (0.50) TACR2YAP1ITGB3ITGA2BCACNA1B
SCHEMBL7341412 0.85 TACR2 (0.58) TACR2ITGB3ITGA2BCACNA1BCTSS
SCHEMBL7345251 0.85 TACR2 (0.60) TACR2CACNA1BCTSS
SCHEMBL7342593 0.85 TACR2 (0.58) TACR2CACNA1BCTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed