SCHEMBL2886310

SCHEMBL2886310

c1ccc(CCCCc2cccs2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.54
TAAR1 Q96RJ0 2/20 0.48
TSHR P16473 1/20 0.47
NAAA Q02083 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2B P18089 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL2883476 0.89 HRH1 (0.50) HRH1TAAR1CYP1A2CYP2D6CHRM2
SCHEMBL726512 0.81 HRH1 (0.76) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL2752018 0.80 SMN1; SMN2 (0.46) HRH1TAAR1TSHRCYP1A2CYP2D6
SCHEMBL10573579 0.79 SMN1; SMN2 (0.48) TSHRCYP1A2SMN1; SMN2CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5827595 0.79 HRH1 (0.73) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL2843489 0.79 HRH1 (0.80) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL4418086 0.79 HRH1 (0.80) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL31040594 0.79 HRH1 (0.80) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL659243 0.79 HRH1 (0.80) HRH1TAAR1NAAACYP1A2CYP2D6
SCHEMBL11734076 0.79 HRH1 (0.80) HRH1TAAR1NAAACYP1A2CYP2D6

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-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed