SCHEMBL7429862

SCHEMBL7429862

[CH2][C@]1(Cc2cccc(C#N)c2)CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
DAO P14920 1/20 0.40
GLA P06280 1/20 0.40
PGR P06401 2/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TACR1 P25103 1/20 0.38
IDH1 O75874 1/20 0.37
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
CHRM3 P20309 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSB P07858 1/20 0.36
OTUD7B Q6GQQ9 3/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL7423776 0.76 EPHX1 (0.41) HRH3DAOMEP1AMEP1B
SCHEMBL16225212 0.69 MAOA (0.55) HRH3GLACYP19A1CYP11B1CYP11B2
SCHEMBL26357090 0.67 POLB (0.64) CYP19A1CYP11B1CYP11B2TACR1CHRM3
SCHEMBL126484 0.66 GLA (0.50) HRH3DAOGLACYP19A1CYP11B1
SCHEMBL595713 0.66 GLA (0.54) HRH3DAOGLACYP19A1CYP11B1
SCHEMBL7424344 0.66 HRH3 (0.46) HRH3DAOGLACYP19A1CYP11B1
SCHEMBL2153847 0.66 HRH3 (0.59) HRH3DAOGLACYP19A1CYP11B1
SCHEMBL2154019 0.66 GLA (0.53) HRH3GLACYP19A1CYP11B1CYP11B2
SCHEMBL31118206 0.65 TRPA1 (0.46) HRH3GLACYP19A1CYP11B1CYP11B2
SCHEMBL5090668 0.64 GLA (0.51) HRH3DAOGLACYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed