SCHEMBL20663156

SCHEMBL20663156

C[C@@H]1CC1NCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.65
MAOB P27338 6/20 0.65
KDM1A O60341 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
P2RX7 Q99572 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FUCA1 P04066 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
SCHEMBL15456202 0.81 MAOA (0.62) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL13276465 0.81 MAOA (0.62) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL18920810 0.81 MAOA (0.62) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL13276199 0.81 MAOA (0.62) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL15456460 0.81 MAOA (0.62) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL5539196 0.80 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL29785655 0.80 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL1732541 0.80 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL13263154 0.79 KDM1A (1.00) MAOAMAOBKDM1A
SCHEMBL237945 0.79 KDM1A (1.00) MAOAMAOBKDM1A

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
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 EP disclosed