SCHEMBL172638

SCHEMBL172638

CC(C)CNCc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.46
TERT O14746 1/20 0.40
ALOX15 P16050 1/20 0.39
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TXN P10599 1/20 0.38
TXNRD1 Q16881 1/20 0.38
FPR2 P25090 1/20 0.37
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13995727 0.86 TAAR1 (0.44) TAAR1TERTALOX15KLK1KLK5
SCHEMBL25769704 0.82 TERT (0.53) TAAR1TERTALOX15TXNTXNRD1
SCHEMBL2474802 0.82 TAAR1 (0.57) TAAR1TERTALOX15KLK1KLK5
SCHEMBL10448528 0.81 TAAR1 (0.42) TAAR1TERTALOX15KLK1KLK5
SCHEMBL1040322 0.79
SCHEMBL369710 0.78 TAAR1 (0.53) TAAR1TERTALOX15KLK1KLK5
SCHEMBL6222239 0.77 TAAR1 (0.49) TAAR1TERTALOX15KLK1KLK5
SCHEMBL5355358 0.76 TAAR1 (0.52) TAAR1TERTALOX15KLK1KLK5
SCHEMBL6225559 0.76 TAAR1 (0.47) TAAR1TERTALOX15KLK1KLK5
SCHEMBL13995791 0.75 TAAR1 (0.44) TAAR1TERTALOX15KLK1KLK5

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
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 WO disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed