SCHEMBL8952180

SCHEMBL8952180

CC(=Nc1ccc(Br)cc1C)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.53
▸ CNR2 P34972 5/20 0.40
▸ FAAH O00519 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CNR1 P21554 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
SCHEMBL8952184 0.90 SIGMAR1 (0.44) SIGMAR1CNR2FAAHNPC1RAB9A
SCHEMBL6719600 0.86 SIGMAR1 (0.54) SIGMAR1CNR2FAAHNPC1RAB9A
SCHEMBL7443927 0.81 SIGMAR1 (0.49) SIGMAR1CNR2FAAHMAPTALDH1A1
SCHEMBL7443919 0.81 SIGMAR1 (0.49) SIGMAR1CNR2FAAHMAPTALDH1A1
SCHEMBL9316280 0.77 EPHX2 (0.40) SIGMAR1CNR2FAAHNPC1RAB9A
SCHEMBL9317615 0.77 SIGMAR1 (0.45) SIGMAR1CNR2NPC1RAB9AMAPT
SCHEMBL7492189 0.71 SIGMAR1 (0.46) SIGMAR1CNR2FAAHMAPTALDH1A1
SCHEMBL6719597 0.71 CNR2 (0.45) SIGMAR1CNR2NPC1RAB9AMAPT
SCHEMBL8952043 0.70 SIGMAR1 (0.56) SIGMAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL8952040 0.70 SIGMAR1 (0.56) SIGMAR1NPC1RAB9AMAPTALDH1A1

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-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 — — US disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 — — US disclosed
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