SCHEMBL3049115

SCHEMBL3049115

CCC(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HRH1 P35367 4/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 4/20 0.46
TDP1 Q9NUW8 3/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAOB P27338 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAOA P21397 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
Benzene SCHEMBL28278798 0.95 TSHR (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL2914007 0.93 MAPT (0.42) TAAR1TDP1CNR1CNR2TSHR
SCHEMBL48724 0.93 MAPT (0.42) TAAR1TDP1CNR1CNR2TSHR
SCHEMBL8100164 0.93 MAPT (0.42) TAAR1TDP1CNR1CNR2TSHR
SCHEMBL10454608 0.91 CYP3A4 (0.42) HTR2AHRH1LMNATAAR1TDP1
Toluene SCHEMBL28231736 0.90 ACHE (0.46) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL2913955 0.90 BCHE (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL486873 0.89 TSHR (0.42) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL12506256 0.88 HTR2A (0.56) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL28334382 0.86 TDP1 (0.50) LMNATAAR1TDP1TSHRCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980618-B Single layer and multilayer blown film 巴斯夫欧洲公司 2018-11-13 CN disclosed
US-20100221533-A1 CIRCUIT CONNECTING ADHESIVE FILM AND CIRCUIT CONNECTING STRUCTURE HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-09-02 US disclosed
CN-1021456-C STABILIZED COPOLYMER COMPOSITIONS SHELL INT RESEARCH (NL) 1993-06-30 CN disclosed
US-5101411-A Semiconductors HITACHI, LTD. (JP) 1992-03-31 US disclosed
CN-88102180-A STABILIZED COPOLYMER COMPOSITIONS 1988-12-28 CN disclosed