SCHEMBL9277019

SCHEMBL9277019

O=C(N1CCCNCC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PTGER2 P43116 4/20 0.49
▸ PTGER1 P34995 8/20 0.49
▸ HRH4 Q9H3N8 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ AVPR1A P37288 1/20 0.40
▸ PIM1 P11309 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
SCHEMBL9275801 0.96 MEN1 (0.59) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9270277 0.84 KMT2A (0.59) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9278010 0.82 MEN1 (0.53) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9273057 0.81 MEN1 (0.57) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9272633 0.81 MAPT (0.54) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9272255 0.81 PTGER1 (0.54) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9275447 0.80 MAPT (0.59) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9277326 0.80 MAPT (0.59) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9277986 0.80 PTGER1 (0.59) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9270508 0.80 MAPT (0.53) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6

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-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 — — US disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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