SCHEMBL23107567

SCHEMBL23107567

Cc1ccc(C(C)N2CCCC(O)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ KAT2B Q92831 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ABL1 P00519 2/20 0.34

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
SCHEMBL23106973 1.00 KMT2A (0.39) KMT2AACKR3MCHR1OPRM1OPRK1
SCHEMBL24859594 1.00 KMT2A (0.39) KMT2AACKR3MCHR1OPRM1OPRK1
SCHEMBL23425821 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23102959 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23089230 0.85 ALOX5AP (0.35) MCHR1KCNH2KDM4EKAT2B
SCHEMBL23102979 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23103248 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23114270 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23102948 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B
SCHEMBL23102960 0.85 MCHR1 (0.34) MCHR1KCNH2ALDH1A1KDM4EKAT2B

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
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 — — WO disclosed
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