SCHEMBL17397697

SCHEMBL17397697

Cc1cc(C2=CCNCC2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.73
HTR2C P28335 8/20 0.53
SIGMAR1 Q99720 2/20 0.53
KHK P50053 2/20 0.44
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL14956908 0.85 QDPR (0.60) QDPRHTR2CSIGMAR1KHKTGFBR1
SCHEMBL31367896 0.85 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL7744628 0.85 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL27866836 0.81 QDPR (0.73) QDPRHTR2CSIGMAR1KHK
SCHEMBL4670817 0.81 SIGMAR1 (0.57) QDPRHTR2CSIGMAR1KHKTGFBR1
SCHEMBL31752730 0.81 HTR2C (0.62) QDPRHTR2CSIGMAR1KHKTGFBR1
SCHEMBL6434221 0.81 HTR2C (0.62) QDPRHTR2CSIGMAR1KHKTGFBR1
SCHEMBL20847821 0.81 HTR2C (0.57) QDPRHTR2CSIGMAR1KHKTGFBR1
SCHEMBL10407313 0.80 QDPR (1.00) QDPRHTR2CSIGMAR1TGFBR1ACVR1
SCHEMBL16434840 0.77 HTR2C (0.57) QDPRHTR2CSIGMAR1KHKTGFBR1

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-3164395-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001875-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 WO disclosed