SCHEMBL7616267

SCHEMBL7616267

CC(C)(C=O)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.82
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ CYP2B6 P20813 2/20 0.71
▸ HRH1 P35367 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
Terfenadone SCHEMBL11364486 0.90 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11826925 0.90 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Terfenadone SCHEMBL11801242 0.89 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11830435 0.89 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL1395734 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2763954 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11798280 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL3737586 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL3681404 0.88 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635004-B1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL PHARMA INC (US) 2002-07-17 — — EP disclosed
US-5663353-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-09-02 — — US disclosed
US-5654433-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-08-05 — — US disclosed
US-5652370-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-29 — — US disclosed
US-5650516-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-22 — — US disclosed
US-5644061-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-01 — — US disclosed
US-5631375-A Process for piperidine derivatives MERRELL PHARMACEUTICALS, INC. (US) 1997-05-20 — — US disclosed
US-5618940-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-04-08 — — US disclosed
EP-0635004-A1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL PHARMACEUTICALS INC. (US) 1995-01-25 — — EP disclosed
WO-1993021156-A1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-28 — — WO disclosed
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