SCHEMBL21863517

SCHEMBL21863517

CCc1ccccc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ AMY1A P0DUB6 2/20 0.40
▸ APP P05067 1/20 0.38
▸ NOTUM Q6P988 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ KCNN4 O15554 1/20 0.37
▸ AR P10275 1/20 0.36
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35

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
SCHEMBL28329509 0.85 NOTUM (0.41) NOTUMTRPV1MGLLARGABRA2
SCHEMBL20181201 0.81 F11 (0.42) NOTUMARGABRA2GABRB2
SCHEMBL26031187 0.81 FLT3 (0.53) ALDH1A1NOTUMTRPV1ARGABRA2
SCHEMBL21849514 0.80 TRPV1 (0.43) AMY1AAPPNOTUMTRPV1MGLL
SCHEMBL21849198 0.78 TRPV1 (0.43) AMY1AAPPNOTUMTRPV1AR
SCHEMBL28600542 0.77 P2RX7 (0.38) AMY1ANOTUMTRPV1MGLLKCNN4
SCHEMBL21816177 0.76 MYC (0.46) ALDH1A1NOTUMMGLL
SCHEMBL28107702 0.73 AR (0.44) NOTUMARRXRAGRIN1GRIN2B
SCHEMBL18367585 0.72 TRPV1 (0.49) ALDH1A1AMY1AAPPTRPV1KCNN4
SCHEMBL30332311 0.72 CYP1A2 (0.46) NOTUMARRXRAGRIN1GRIN2B

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-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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