SCHEMBL9176291

SCHEMBL9176291

NCCN(CCN)CCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.54
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ TAAR1 Q96RJ0 6/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18789268 0.91 GFER (0.65) GFERMAOBMAOALOXL2ALDH1A1
SCHEMBL7211656 0.81 DRD2 (0.55) GFERCYP3A4TSHRKDM4EMAPT
SCHEMBL9768688 0.80 TAAR1 (0.58) MAOALOXL2TDP1TAAR1CYP1A2
SCHEMBL9125321 0.80 MAPT (0.62) GFERMAOBMAOALOXL2ALDH1A1
SCHEMBL13937396 0.80 TAAR1 (0.58) MAOALOXL2TDP1TAAR1CYP1A2
SCHEMBL9630022 0.78 GFER (0.54) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL13937401 0.78 TAAR1 (0.56) MAOALOXL2TAAR1CYP1A2CYP2A6
SCHEMBL3161700 0.78 GFER (0.54) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL143553 0.78 GFER (0.77) GFERMAOBMAOALOXL2ALDH1A1
SCHEMBL10618368 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSIGMAR1TAAR1CYP1A2

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-0653941-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994000145-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1994-01-06 — — WO disclosed
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