SCHEMBL7860425

SCHEMBL7860425

NC(=O)C1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.50
MRGPRX1 Q96LB2 5/20 0.50
KCNK9 Q9NPC2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL28099406 0.89 KCNK9 (0.56) TACR1MRGPRX1KCNK9KDM4EMEN1
SCHEMBL9464050 0.79 TACR1 (0.48) TACR1NPC1MTORRAB9A
SCHEMBL2858768 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL2785002 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL2858162 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL14364969 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL9185372 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL6135412 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL2858767 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL6135633 0.78 TACR1 (0.55) TACR1NPC1MTORRAB9A

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-0632809-B1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-09-05 EP disclosed