SCHEMBL6561450

SCHEMBL6561450

Cc1nc(-c2ccccc2)nn1-c1ccccc1OCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1B P28222 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ADORA1 P30542 1/20 0.38
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 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
SCHEMBL6561418 0.81 BRD4 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL6559765 0.78 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL6561335 0.78 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL7803874 0.76 ADORA1 (0.36) SMN1; SMN2MAPTTSHRADORA1AVPR2
SCHEMBL7949144 0.76 HTR7 (0.60) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL7805578 0.74 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL14118409 0.72 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMAPTTSHR
SCHEMBL6559724 0.70 GAA (0.47) ALDH1A1KDM4EPOLBMAPTADORA1
SCHEMBL7946819 0.70 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL6669515 0.69 HTR7 (0.67) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B

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
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed