SCHEMBL7744453

SCHEMBL7744453

CN1CC=C(c2ccc(O)c(O)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QDPR P09417 6/20 1.00
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL19107630 0.87 QDPR (0.77) QDPR
SCHEMBL24309677 0.86 QDPR (0.75) QDPR
SCHEMBL29566914 0.86 QDPR (0.75) QDPR
SCHEMBL24310465 0.86 QDPR (0.75) QDPR
SCHEMBL29567164 0.86 QDPR (0.75) QDPR
SCHEMBL8382547 0.83 QDPR (1.00) QDPR
SCHEMBL8382616 0.82 QDPR (1.00) QDPR
SCHEMBL7739767 0.78 QDPR (1.00) QDPR
SCHEMBL7369176 0.78 QDPR (0.72) QDPR
SCHEMBL19107631 0.78 QDPR (0.64) QDPRHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 US claimed
EP-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 EP disclosed
EP-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 EP disclosed
US-5874433-A Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-02-23 US disclosed
US-5874433-A Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-02-23 US disclosed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 EP disclosed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 EP disclosed
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 US disclosed
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 US disclosed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 WO disclosed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 WO disclosed