SCHEMBL7608940

SCHEMBL7608940

CCCCCCCCCCCCCCCCCCN(C(N)CC)C(N)CC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.44
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3097712 1.00 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL3107006 1.00 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL1576709 1.00 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL11613129 0.90 PLA2G1B (0.35) DNM1PLA2G1BPLA2G2ATSHROPRM1
SCHEMBL560601 0.84 CHRM2 (0.46) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL11514066 0.84 PLA2G1B (0.50) DNM1PLA2G1BPLA2G2AOPRM1SPHK1
SCHEMBL817871 0.84 CHRM2 (0.46) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL10810975 0.81 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL8679255 0.81 DNM1 (0.44) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL816413 0.81 CHRM2 (0.42) DNM1TSHRMEN1KMT2AALDH1A1

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
EP-0761769-B1 Pigment compositions CIBA SC HOLDING AG (CH) 2002-04-17 EP claimed
EP-0761769-A1 Pigment compositions Ciba SC Holding AG (CH) 1997-03-12 EP claimed
EP-0761769-B1 Pigment compositions CIBA SC HOLDING AG (CH) 2002-04-17 EP disclosed
US-5672202-A Pigment compositions CIBA-GEIGY CORPORATION (US) 1997-09-30 US disclosed
EP-0761769-A1 Pigment compositions Ciba SC Holding AG (CH) 1997-03-12 EP disclosed