SCHEMBL9274530

SCHEMBL9274530

CC(CN1CCC(O)CC1)C(C)N(C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CHRM2 P08172 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ OPRK1 P41145 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
SCHEMBL9275071 0.88 HRH3 (0.41) HRH3CHRM2CHRM3CYP2D6USP2
SCHEMBL9280325 0.88 USP2 (0.50) HRH3CHRM2USP2ALOX15TSHR
SCHEMBL9104340 0.86 HRH3 (0.44) HRH3CHRM2CHRM3CYP2D6USP2
SCHEMBL9104334 0.86 HRH3 (0.44) HRH3CHRM2CHRM3CYP2D6USP2
SCHEMBL9279426 0.83 HRH3 (0.39) HRH3SIGMAR1OPRK1
SCHEMBL9280185 0.82 P2RX7 (0.38) CHRM2CHRM3USP2ALOX15TSHR
SCHEMBL9102627 0.81 HRH3 (0.43) HRH3CHRM2CHRM3CYP2D6TACR2
SCHEMBL9102635 0.81 HRH3 (0.43) HRH3CHRM2CHRM3CYP2D6TACR2
SCHEMBL9281360 0.80 HRH3 (0.45) HRH3CHRM2CHRM3TSHRTACR2
SCHEMBL9278651 0.80 P2RX7 (0.38) USP2ALOX15TSHR

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
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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