SCHEMBL27766201

SCHEMBL27766201

Cc1c(Br)c(C(=O)N2CCN(CC(C(=O)C(CN3CCN(C(=O)c4nn(C)c(C)c4Br)C[C@@H]3C)c3ccc(F)cc3)c3ccc(F)cc3)[C@@H](C)C2)nn1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.53
HTR2C P28335 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
CHRM1 P11229 1/20 0.38
KCNH2 Q12809 2/20 0.35
DPP8 Q6V1X1 3/20 0.34
CCR5 P51681 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27766203 0.88 HTR2A (0.52) HTR2AHTR2CSMN1; SMN2RAB9ACHRM1
SCHEMBL27787833 0.85 HTR2A (0.67) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL3143852 0.83 HTR2A (0.56) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL3148091 0.83 HTR2A (0.56) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL3143861 0.83 HTR2A (0.56) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL3139433 0.82 HTR2A (0.72) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL3139447 0.82 HTR2A (0.72) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL27787836 0.74 HTR2A (0.66) HTR2AHTR2CSMN1; SMN2RAB9AKCNH2
SCHEMBL27766310 0.73 POLB (0.51) HTR2AHTR2CRAB9AKCNH2KMT2A
SCHEMBL3140063 0.70 HTR2A (0.72) HTR2AHTR2CKCNH2MEN1KMT2A

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
CN-101611013-A As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC (US) 2009-12-23 CN claimed
CN-102838546-A Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto ARENA PHARM INC 2012-12-26 CN disclosed