SCHEMBL9264658

SCHEMBL9264658

NC(Cc1ccccc1)CC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
EPHX1 P07099 1/20 0.52
ANPEP P15144 1/20 0.46
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 3/20 0.41
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SOS1 Q07889 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL7801436 0.80 TDP1 (0.52) SLC6A4MAOA
SCHEMBL7492665 0.80 GBA1 (0.56) GBA1SLC6A2SLC6A4TAAR1MAOA
SCHEMBL7871223 0.80 GBA1 (0.56) GBA1SLC6A2SLC6A4MAOASLC6A3
SCHEMBL7492670 0.80 GBA1 (0.56) GBA1SLC6A2SLC6A4TAAR1MAOA
SCHEMBL7871873 0.80 GBA1 (0.56) GBA1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL7868320 0.76 GBA1 (0.51) GBA1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL5687527 0.76 GBA1 (0.51) GBA1SLC6A2SLC6A4TAAR1MAOA
SCHEMBL7868325 0.76 GBA1 (0.51) GBA1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL27478385 0.76 DPP4 (0.51) GBA1EPHX1ANPEPSLC6A2SLC6A4
SCHEMBL7070397 0.73 GBA1 (0.55) GBA1SLC6A4MAOASIGMAR1SOS1

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
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed