SCHEMBL10396273

SCHEMBL10396273

N#CN1CCC(c2nn(-c3ccccc3)c3ccc(F)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.42
KHK P50053 1/20 0.40
USP7 Q93009 2/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
USP30 Q70CQ3 5/20 0.37
CYP11B2 P19099 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
SCHEMBL10395432 0.86 CYP11B2 (0.42) CNR1KHKUSP7AXLTYRO3
SCHEMBL10395742 0.86 CYP11B2 (0.46) KHKUSP7USP30CYP11B2
SCHEMBL10396570 0.85 CNR1 (0.44) CNR1KHKAXLTYRO3CYP11B2
Hydrochloric Acid SCHEMBL10395408 0.84 CNR1 (0.43) CNR1KHKAXLTYRO3CYP11B2
SCHEMBL10395242 0.76 CNR1 (0.45) CNR1KHKUSP30CYP11B2
SCHEMBL10395270 0.74 USP7 (0.44) CNR1USP7CYP11B2
SCHEMBL9830106 0.74 DRD2 (0.40) USP30
SCHEMBL10395858 0.72 CNR1 (0.52) CNR1
SCHEMBL10396359 0.71 KHK (0.54) KHK
SCHEMBL10395443 0.71 KHK (0.46) KHKCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933460-A CHEMICAL INTERMEDIATES FOR INDAZOLE-CONTAINING DRUGS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
US-4853470-A 3-(piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-08-01 US disclosed
US-4806649-A ANTIDEPRESSANTS, ANTICONVULSANTS, ANALGESICS, HYPOTENSIVE AGENTS, ANTIHALLUCINOGENS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-02-21 US disclosed
US-4775761-A TREATING PSYCHOSES, DEPRESSION, CONVULSIONS AND HYPERTENSION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-10-04 US disclosed
US-4758668-A 3-(piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-07-19 US disclosed
US-4710573-A PSYCHOLOGICAL DISORDERS HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1987-12-01 US disclosed
US-4670447-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AND HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US disclosed