SCHEMBL7944535

SCHEMBL7944535

NCCNC1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
OPRL1 P41146 6/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRIN2B Q13224 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
CYP2C9 P11712 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL7951355 0.80 MEN1 (0.65) OPRM1OPRL1MEN1KMT2AHTR5A
SCHEMBL7952672 0.80 MEN1 (0.65) OPRM1OPRL1MEN1KMT2AHTR5A
SCHEMBL7226427 0.80 MEN1 (0.65) OPRM1OPRL1MEN1KMT2AHTR5A
SCHEMBL7251987 0.78 ALOX15 (0.51) OPRM1OPRL1MEN1KMT2ATAAR1
Hydrochloric Acid SCHEMBL8110478 0.77 OPRM1 (0.45) OPRM1OPRL1MEN1KMT2ATAAR1
SCHEMBL7233178 0.76 ALOX15 (0.46) OPRM1OPRL1MEN1KMT2ATAAR1
SCHEMBL7979601 0.72 ALDH1A1 (0.51) TAAR1ALDH1A1GRIN2B
SCHEMBL7951338 0.72 MEN1 (0.62) OPRM1OPRL1MEN1KMT2AHTR5A
SCHEMBL423267 0.70 OPRL1 (0.60) OPRM1OPRL1MEN1KMT2AMAOA
SCHEMBL7944447 0.69 MEN1 (0.47) OPRM1OPRL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
US-6172066-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-01-09 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed