SCHEMBL9270277

SCHEMBL9270277

CN1CCCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ THPO P40225 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ PTGER1 P34995 8/20 0.54
▸ PTGER2 P43116 4/20 0.50
▸ AVPR1A P37288 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ P2RX4 Q99571 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL9272255 0.87 PTGER1 (0.54) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9272921 0.86 PTGER1 (0.57) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9277326 0.85 MAPT (0.59) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9275447 0.85 MAPT (0.59) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9278010 0.85 MEN1 (0.53) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9275409 0.85 PTGER1 (0.52) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9277019 0.84 MEN1 (0.55) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9273057 0.84 MEN1 (0.57) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9049054 0.84 PTGER1 (0.55) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9275801 0.84 MEN1 (0.59) KMT2AMAPTCYP1A2CYP3A4CYP2D6

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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