SCHEMBL8331072

SCHEMBL8331072

Cc1cccc(C2CC2C(C)C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALOX5 P09917 2/20 0.45
KDM1A O60341 1/20 0.40
PARP1 P09874 1/20 0.40
GPR88 Q9GZN0 2/20 0.40
LPAR2 Q9HBW0 1/20 0.38
HDAC4 P56524 1/20 0.38
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
FFAR1 O14842 1/20 0.36
SLC9A1 P19634 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL8331728 0.86 ALOX5 (0.46) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8333598 0.84 SLC9A1 (0.52) HTR2CHTR2AHTR2BSLC6A3ALOX5
SCHEMBL8330436 0.84 KDM1A (0.51) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8332790 0.82 SLC9A1 (0.56) HTR2CHTR2AHTR2BALOX5PARP1
SCHEMBL27430078 0.80 SLC9A1 (0.56) ALOX5SLC9A1MEN1ALDH1A1KMT2A
SCHEMBL8331608 0.80 HTR2A (0.45) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL29303274 0.75 HTR2A (0.51) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL21600643 0.73 HTR2C (0.49) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8487182 0.72 MTNR1A (0.39) ALOX5KDM1AKDM4EMEN1GAA
SCHEMBL25005715 0.72 PARP1 (0.53) ALOX5KDM1APARP1OPRK1

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-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed