SCHEMBL9270508

SCHEMBL9270508

O=C(N1CCC(N2CCCCC2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THPO P40225 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTGER2 P43116 4/20 0.48
▸ PTGER1 P34995 8/20 0.47
▸ TP53 P04637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ P2RX4 Q99571 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ ACKR3 P25106 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
SCHEMBL9272633 0.99 MAPT (0.54) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9268967 0.88 MAPT (0.51) MAPTMEN1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9276327 0.87 MAPT (0.50) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9270370 0.83 MAPT (0.57) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275801 0.81 MEN1 (0.59) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9270277 0.81 KMT2A (0.59) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9278010 0.80 MEN1 (0.53) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9277019 0.80 MEN1 (0.55) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9273057 0.80 MEN1 (0.57) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9275447 0.79 MAPT (0.59) MAPTMEN1ALDH1A1CYP1A2CYP3A4

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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