SCHEMBL11212928

SCHEMBL11212928

COc1cc2nc(N3CCN(c4nc5cccccc-5n4)CC3)nc(N)c2c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.48
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
Hydrochloric Acid SCHEMBL11209989 0.99 CFD (0.47) CFDADRA1AADRA1B
SCHEMBL11207994 0.82 ADRA1A (0.68) ADRA1AADRA1B
SCHEMBL11213477 0.81 HTR1A (0.57) CFDADRA1A
Hydrochloric Acid SCHEMBL11215640 0.81 ADRA1A (0.67) ADRA1AADRA1B
SCHEMBL6771912 0.77 ALDH1A1 (0.57) CFD
SCHEMBL7014246 0.76 NPY1R (0.41)
SCHEMBL6762612 0.73 CFD (0.49) CFDADRA1AADRA1B
SCHEMBL7014517 0.73
SCHEMBL14095306 0.72 ADRA1A (0.68) ADRA1AADRA1B
SCHEMBL27387450 0.71 CFD (0.44) CFDADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US claimed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP claimed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO claimed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP claimed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP disclosed