SCHEMBL4065015

SCHEMBL4065015

Clc1ccccc1C1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
OPRL1 P41146 4/20 0.45
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.40
DPP4 P27487 1/20 0.40
ADRA1D P25100 1/20 0.40
TRPV6 Q9H1D0 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
GRM2 Q14416 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL1897406 0.86 TP53 (0.57) TP53RECQLOPRL1ADRA1AADRA1B
Charcoal, Activated SCHEMBL5897477 0.84 TP53 (0.55) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL3789653 0.82 TP53 (0.53) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL3784740 0.82 TP53 (0.53) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL2316090 0.80 TP53 (0.52) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL5406701 0.78 DPP4 (0.49) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL8747411 0.77 TP53 (0.53) TP53RECQLOPRL1TRPV6HTR2A
SCHEMBL11832831 0.77 TP53 (0.48) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL20178459 0.77 OPRL1 (0.59) TP53RECQLOPRL1ADRA1AADRA1B
SCHEMBL11444228 0.77 TP53 (0.48) TP53RECQLOPRL1ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed