SCHEMBL7423601

SCHEMBL7423601

CCC1CCN(C(=O)C(N)Cc2nc3ccccc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.53
CTRC Q99895 3/20 0.53
F10 P00742 2/20 0.53
KLK1 P06870 2/20 0.53
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 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
SCHEMBL7418302 1.00 F2 (0.53) F2CTRCF10KLK1TP53
SCHEMBL7479296 0.92 F2 (0.48) F2CTRCF10KLK1TP53
SCHEMBL7359256 0.88 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7360493 0.88 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7443425 0.88 F2 (0.54) F2CTRCF10KLK1KMT2A
SCHEMBL7418322 0.88 MAPT (0.44) F2CTRCF10KLK1TP53
Bromide SCHEMBL7365316 0.88 F2 (0.52) F2CTRCF10KLK1
SCHEMBL7422682 0.88 F2 (0.53) F2CTRCF10KLK1OPRK1
Bromide SCHEMBL7365314 0.88 F2 (0.52) F2CTRCF10KLK1
Hydrochloric Acid SCHEMBL7422561 0.84 NPC1 (0.52) F2MAPTLMNACYP1A2CYP2C9

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
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed