SCHEMBL26107346

SCHEMBL26107346

O=CC=CN1CCN(c2nccnc2Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ ABL1 P00519 9/20 0.39
▸ BCR P11274 7/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ KIT P10721 2/20 0.38
▸ TTBK1 Q5TCY1 1/20 0.38
▸ TTBK2 Q6IQ55 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL26103974 0.87 TRPV1 (0.33) DHODHTRPV1ABL1KIT
SCHEMBL26105442 0.86 PDE10A (0.34) TRPV1
SCHEMBL26107483 0.86 TRPV1 (0.46) TRPV1
SCHEMBL26106402 0.85 NPSR1 (0.41) KITALDH1A1MAPT
SCHEMBL26107437 0.84 DHODH (0.38) DHODHTRPV1LMNAKDM4EALDH1A1
SCHEMBL26105644 0.83 PDE10A (0.41) TRPV1
SCHEMBL26104535 0.82 TRPV1 (0.43) DHODHTRPV1LMNARAB9A
SCHEMBL30591801 0.80 TRPV1 (0.50) DHODHTRPV1ABL1BCREPHX2
SCHEMBL26108742 0.80 TRPV1 (0.50) DHODHTRPV1ABL1BCREPHX2
SCHEMBL26106597 0.79 TRPV1 (0.33) TRPV1

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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