SCHEMBL7966896

SCHEMBL7966896

COc1cc(CN2CCC(CCN3CCC(O)(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC.CS(=O)(=O)O

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 1/20 0.41
HRH1 P35367 18/20 0.47
SSTR5 P35346 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1387215 0.97 HRH1 (0.49) HRH1TACR1
SCHEMBL7962558 0.95 HRH1 (0.50) HRH1TACR1SSTR5
SCHEMBL7963343 0.95 HRH1 (0.49) HRH1TACR1SSTR5HTT
SCHEMBL7954465 0.94 HRH1 (0.49) HRH1TACR1SSTR5KDM4EALDH1A1
SCHEMBL1387145 0.92 HRH1 (0.53) HRH1TACR1SSTR5
SCHEMBL1387148 0.91 HRH1 (0.51) HRH1TACR1
SCHEMBL1388865 0.91 HRH1 (0.52) HRH1TACR1
SCHEMBL7947313 0.91 HRH1 (0.47) HRH1TACR1SSTR5
SCHEMBL7966899 0.91 HRH1 (0.46) HRH1TACR1SSTR5
SCHEMBL7961463 0.90 HRH1 (0.51) HRH1TACR1SSTR5ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed