SCHEMBL11630545

SCHEMBL11630545

CN1CCN=C1Cc1ccccc1-c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL21666537 0.75 KDM4E (0.54) HTR7ADRA1DADRA1AADRA1B
SCHEMBL11627477 0.73 ADRA1A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12079396 0.71 KDM4E (0.45) BRD4
SCHEMBL11632111 0.71 ADRA1A (0.53) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2514598 0.70 CYP1A2 (0.63) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL4777973 0.69 KDM4E (0.50) BRD4
SCHEMBL24888335 0.69 KDM4E (0.54) HTR7ADRA1DADRA1AADRA1B
SCHEMBL22910530 0.68 LTA4H (0.47) HTR7ADRA1DADRA1AADRA1BBRD4
SCHEMBL14678660 0.66 KDM4E (0.46) ADRA2AADRA2BADRA2CBRD4
SCHEMBL27834816 0.66 KDM4E (0.46) HTR7ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4081544-A ANTIDEPRESSANTS SCHERING CORPORATION (US) 1978-03-28 — — US disclosed
US-3932431-A ANTIDEPRESSANT, ANTIINFLAMMATORY SCHERING CORPORATION (US) 1976-01-13 — — US disclosed
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