SCHEMBL11624965

SCHEMBL11624965

CCC(C)(C)NC(CN)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP26A1 O43174 1/20 0.31
CYP2A6 P11509 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL21799602 0.84 RIPK1 (0.43) RPS6KB1TAAR1
SCHEMBL21799494 0.71 TAAR1 (0.40) TAAR1
SCHEMBL21799515 0.70 RIPK1 (0.43) RPS6KB1TAAR1
SCHEMBL11628422 0.67 TYR (0.36)
SCHEMBL11624857 0.67 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2AURKARPS6KB1
SCHEMBL21799478 0.67 SLC6A3 (0.52) RPS6KB1TAAR1
SCHEMBL7455436 0.67 ADORA2A (0.49) ALDH1A1LMNASMN1; SMN2AURKARPS6KB1
SCHEMBL8046163 0.66 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL20993502 0.64 ALDH1A1 (0.39) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3667006 0.64 CYP1A2 (0.42) LMNASMN1; SMN2MEN1KMT2ACYP1A2

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
US-4088771-A 1-Lower alkyl-4,5-dihydro-5-phenyl-2-lower alkoxy carbonylaminoimidazoles and substituted phenyl derivatives thereof SYNTEX (U.S.A.) INC. (US) 1978-05-09 US disclosed