SCHEMBL7866024

SCHEMBL7866024

CCn1nc(-c2c(C)cc(C)cc2C)c(C)c1CN1Cc2ccccc2CC1COC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ GLP1R P43220 1/20 0.31
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL7582965 0.93 OPRM1 (0.35) OPRM1OPRD1OPRK1BCL2BAD
SCHEMBL7589160 0.91 OPRM1 (0.36) OPRM1OPRD1OPRK1BCL2BAD
SCHEMBL7580168 0.89 BCL2 (0.33) OPRM1OPRD1OPRK1BCL2CRHR1
SCHEMBL7583915 0.81 CRHR1 (0.33) OPRM1OPRD1OPRK1BCL2BAD
SCHEMBL7589128 0.79 BCL2 (0.32) OPRM1OPRD1OPRK1BCL2CRHR1
SCHEMBL7593158 0.77 OPRM1 (0.37) OPRM1OPRD1OPRK1BCL2BAD
SCHEMBL7658816 0.75 HTT (0.44) —
SCHEMBL8506675 0.73 OPRM1 (0.37) OPRM1OPRD1OPRK1BCL2BAD
SCHEMBL7865778 0.68 SMN1; SMN2 (0.38) CRHR1
SCHEMBL7598555 0.68 CFB (0.41) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941223-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-09-15 — — EP claimed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 — — WO claimed
US-6300360-B1 FOR THERAPY OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-10-09 — — US disclosed
US-6127399-A TREATING POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-10-03 — — US disclosed
US-5973152-A Certain pyrazole derivatives as corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION 1999-10-26 — — US disclosed
EP-0941223-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-09-15 — — EP disclosed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 — — WO disclosed
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